Dissolution of Portlandite in Pure Water: Part 1 Molecular Dynamics (MD) Approach

The current contribution proposes a multi-scale bridging modeling approach for the dissolution of crystals to connect the atomistic scale to the (sub-) micro-scale. This is demonstrated in the example of dissolution of portlandite, as a relatively simple benchmarking example for cementitious materia...

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Detalles Bibliográficos
Autores principales: Salah Uddin, Khondakar Mohammad, Izadifar, Mohammadreza, Ukrainczyk, Neven, Koenders, Eduardus, Middendorf, Bernhard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8876661/
https://www.ncbi.nlm.nih.gov/pubmed/35207945
http://dx.doi.org/10.3390/ma15041404

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8876661/
https://www.ncbi.nlm.nih.gov/pubmed/35207945
http://dx.doi.org/10.3390/ma15041404

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